Dataset

Pregabalin; LC-ESI-QTOF; MS2; 50 V

This MassBank record with Accession MSBNK-BAFG-CSL2311093593 contains the MS2 mass spectrum of Pregabalin with the InChIkey AYXYPKUFHZROOJ-ZETCQYMHSA-N.

Chemical Information

InChI	InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
SMILES	CC(C)C[C@H](CN)CC(O)=O
InChI Key	AYXYPKUFHZROOJ-ZETCQYMHSA-N
Molecular Formula	C8H17NO2
Exact Mass	159.126 g/mol

Data and Resources

PregabalinHTML

Go to source

Related Molecule ⌄

(3S)-3-(aminomethyl)-5-methylhexanoic acid

Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311093593
Version
Author
Maintainer
Language
MetadataPublished	2023-11-09
Related Molecule	(3S)-3-(aminomethyl)-5-methylhexanoic acid

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00230	drugbank
CHEBI:64356	chebi
CHEMBL1059	chembl
8227	surechembl
25271887	pubchem
55JG375S6M	fdasrs
PD000713	probes_and_drugs
CIDDEZ	CCDC
HMDB0014375	hmdb
DTXSID1045950	comptox
NCT00141219	clinicaltrials
NCT00141245	clinicaltrials
NCT00141258	clinicaltrials
NCT00141336	clinicaltrials
NCT00141362	clinicaltrials
NCT00141375	clinicaltrials
NCT00141388	clinicaltrials
NCT00141401	clinicaltrials
NCT00141414	clinicaltrials
NCT00141427	clinicaltrials
NCT00143130	clinicaltrials
NCT00143143	clinicaltrials
NCT00143156	clinicaltrials
NCT00150293	clinicaltrials
NCT00150423	clinicaltrials
NCT00150436	clinicaltrials
NCT00150449	clinicaltrials
NCT00151450	clinicaltrials
NCT00151489	clinicaltrials
NCT00151528	clinicaltrials
NCT00156078	clinicaltrials
NCT00159666	clinicaltrials
NCT00159679	clinicaltrials
NCT00159705	clinicaltrials
NCT00159731	clinicaltrials
NCT00209495	clinicaltrials
NCT00219544	clinicaltrials
NCT00230776	clinicaltrials
NCT00232141	clinicaltrials
NCT00235261	clinicaltrials
NCT00245609	clinicaltrials
NCT00264875	clinicaltrials
NCT00280059	clinicaltrials
NCT00282997	clinicaltrials
NCT00288639	clinicaltrials
NCT00291148	clinicaltrials
NCT00292188	clinicaltrials
NCT00301223	clinicaltrials
NCT00310583	clinicaltrials
NCT00310765	clinicaltrials
NCT00313820	clinicaltrials
NCT00333866	clinicaltrials
NCT00334685	clinicaltrials
NCT00334685	clinicaltrials
NCT00346034	clinicaltrials
NCT00351611	clinicaltrials
NCT00352651	clinicaltrials
NCT00353704	clinicaltrials
NCT00368745	clinicaltrials
NCT00370656	clinicaltrials
NCT00371033	clinicaltrials
NCT00372528	clinicaltrials
NCT00378547	clinicaltrials
NCT00380874	clinicaltrials
NCT00381095	clinicaltrials
NCT00385671	clinicaltrials
NCT00394901	clinicaltrials
NCT00403780	clinicaltrials
NCT00407511	clinicaltrials
NCT00407745	clinicaltrials
NCT00407797	clinicaltrials
NCT00413010	clinicaltrials
NCT00424372	clinicaltrials
NCT00437281	clinicaltrials
NCT00442546	clinicaltrials
NCT00447369	clinicaltrials
NCT00448916	clinicaltrials
NCT00468845	clinicaltrials
NCT00524030	clinicaltrials
NCT00537238	clinicaltrials
NCT00537940	clinicaltrials
NCT00551135	clinicaltrials
NCT00552526	clinicaltrials
NCT00553280	clinicaltrials
NCT00553475	clinicaltrials
NCT00558753	clinicaltrials
NCT00570310	clinicaltrials
NCT00573261	clinicaltrials
NCT00581685	clinicaltrials
NCT00583869	clinicaltrials
NCT00584246	clinicaltrials
NCT00584376	clinicaltrials
NCT00596466	clinicaltrials
NCT00599638	clinicaltrials
NCT00601458	clinicaltrials
NCT00623285	clinicaltrials
NCT00624780	clinicaltrials
NCT00629681	clinicaltrials
NCT00629889	clinicaltrials
NCT00631696	clinicaltrials
NCT00631943	clinicaltrials
NCT00637975	clinicaltrials
NCT00638443	clinicaltrials
NCT00643136	clinicaltrials
NCT00643760	clinicaltrials
NCT00644137	clinicaltrials
NCT00645398	clinicaltrials
NCT00646451	clinicaltrials
NCT00654940	clinicaltrials
NCT00663962	clinicaltrials
NCT00676403	clinicaltrials
NCT00696787	clinicaltrials
NCT00702949	clinicaltrials
NCT00706836	clinicaltrials
NCT00729690	clinicaltrials
NCT00740571	clinicaltrials
NCT00746681	clinicaltrials
NCT00755573	clinicaltrials
NCT00760474	clinicaltrials
NCT00762099	clinicaltrials
NCT00772291	clinicaltrials
NCT00781131	clinicaltrials
NCT00785382	clinicaltrials
NCT00785577	clinicaltrials
NCT00791739	clinicaltrials
NCT00806026	clinicaltrials
NCT00806026	clinicaltrials
NCT00819988	clinicaltrials
NCT00830128	clinicaltrials
NCT00830167	clinicaltrials
NCT00837941	clinicaltrials
NCT00838799	clinicaltrials
NCT00852436	clinicaltrials
NCT00852683	clinicaltrials
NCT00853229	clinicaltrials
NCT00855738	clinicaltrials
NCT00870454	clinicaltrials
NCT00879021	clinicaltrials
NCT00883740	clinicaltrials
NCT00905437	clinicaltrials
NCT00905580	clinicaltrials
NCT00908375	clinicaltrials
NCT00929344	clinicaltrials
NCT00938548	clinicaltrials
NCT00957177	clinicaltrials
NCT00977197	clinicaltrials
NCT00991276	clinicaltrials
NCT00994786	clinicaltrials
NCT00998816	clinicaltrials
NCT01009541	clinicaltrials
NCT01020474	clinicaltrials
NCT01020526	clinicaltrials
NCT01021696	clinicaltrials
NCT01047488	clinicaltrials
NCT01047488	clinicaltrials
NCT01049217	clinicaltrials
NCT01057693	clinicaltrials
NCT01058642	clinicaltrials
NCT01059331	clinicaltrials
NCT01061372	clinicaltrials
NCT01061697	clinicaltrials
NCT01073501	clinicaltrials
NCT01080612	clinicaltrials
NCT01089556	clinicaltrials
NCT01094808	clinicaltrials
NCT01116531	clinicaltrials
NCT01122004	clinicaltrials
NCT01128712	clinicaltrials
NCT01145417	clinicaltrials
NCT01158859	clinicaltrials
NCT01202227	clinicaltrials
NCT01202422	clinicaltrials
NCT01202435	clinicaltrials
NCT01220219	clinicaltrials
NCT01226667	clinicaltrials
NCT01242332	clinicaltrials
NCT01257516	clinicaltrials
NCT01257529	clinicaltrials
NCT01262677	clinicaltrials
NCT01270815	clinicaltrials
NCT01270828	clinicaltrials
NCT01271660	clinicaltrials
NCT01271933	clinicaltrials
NCT01291524	clinicaltrials
NCT01298466	clinicaltrials
NCT01309074	clinicaltrials
NCT01314222	clinicaltrials
NCT01321671	clinicaltrials
NCT01331213	clinicaltrials
NCT01332149	clinicaltrials
NCT01333956	clinicaltrials
NCT01342198	clinicaltrials
NCT01344213	clinicaltrials
NCT01345045	clinicaltrials
NCT01352741	clinicaltrials
NCT01364298	clinicaltrials
NCT01366196	clinicaltrials
NCT01387607	clinicaltrials
NCT01389596	clinicaltrials
NCT01391858	clinicaltrials
NCT01397006	clinicaltrials
NCT01419405	clinicaltrials
NCT01420913	clinicaltrials
NCT01432236	clinicaltrials
NCT01443169	clinicaltrials
NCT01450163	clinicaltrials
NCT01450345	clinicaltrials
NCT01455415	clinicaltrials
NCT01455428	clinicaltrials
NCT01463306	clinicaltrials
NCT01474772	clinicaltrials
NCT01479556	clinicaltrials
NCT01480765	clinicaltrials
NCT01485094	clinicaltrials
NCT01496365	clinicaltrials
NCT01496690	clinicaltrials
NCT01504412	clinicaltrials
NCT01511640	clinicaltrials
NCT01529190	clinicaltrials
NCT01555073	clinicaltrials
NCT01571804	clinicaltrials
NCT01591980	clinicaltrials
NCT01603394	clinicaltrials
NCT01635751	clinicaltrials
NCT01637077	clinicaltrials
NCT01638273	clinicaltrials
NCT01675986	clinicaltrials
NCT01688947	clinicaltrials
NCT01701362	clinicaltrials
NCT01701921	clinicaltrials
NCT01713426	clinicaltrials
NCT01719705	clinicaltrials
NCT01726205	clinicaltrials
NCT01727791	clinicaltrials
NCT01747915	clinicaltrials
NCT01768988	clinicaltrials
NCT01770964	clinicaltrials
NCT01789216	clinicaltrials
NCT01801189	clinicaltrials
NCT01808300	clinicaltrials
NCT01811251	clinicaltrials
NCT01821430	clinicaltrials
NCT01838044	clinicaltrials
NCT01846182	clinicaltrials
NCT01852318	clinicaltrials
NCT01863810	clinicaltrials
NCT01869569	clinicaltrials
NCT01888536	clinicaltrials
NCT01904097	clinicaltrials
NCT01928381	clinicaltrials
NCT01939366	clinicaltrials
NCT02024568	clinicaltrials
NCT02037165	clinicaltrials
NCT02072824	clinicaltrials
NCT02103647	clinicaltrials
NCT02103686	clinicaltrials
NCT02120703	clinicaltrials
NCT02146430	clinicaltrials
NCT02180880	clinicaltrials
NCT02187159	clinicaltrials
NCT02187471	clinicaltrials
NCT02205879	clinicaltrials
NCT02215252	clinicaltrials
NCT02215252	clinicaltrials
NCT02238717	clinicaltrials
NCT02240199	clinicaltrials
NCT02240199	clinicaltrials
NCT02260388	clinicaltrials
NCT02260947	clinicaltrials
NCT02277548	clinicaltrials
NCT02285010	clinicaltrials
NCT02311777	clinicaltrials
NCT02326987	clinicaltrials
NCT02327000	clinicaltrials
NCT02349607	clinicaltrials
NCT02372578	clinicaltrials
NCT02374567	clinicaltrials
NCT02417935	clinicaltrials
NCT02423018	clinicaltrials
NCT02464813	clinicaltrials
NCT02482818	clinicaltrials
NCT02607254	clinicaltrials
NCT02612233	clinicaltrials
NCT02639533	clinicaltrials
NCT02673866	clinicaltrials
NCT02678117	clinicaltrials
NCT02678117	clinicaltrials
NCT02701764	clinicaltrials
NCT02725112	clinicaltrials
NCT02747940	clinicaltrials
NCT02782169	clinicaltrials
NCT02783183	clinicaltrials
NCT02783638	clinicaltrials
NCT02868801	clinicaltrials
NCT02868814	clinicaltrials
NCT02884908	clinicaltrials
NCT02924675	clinicaltrials
NCT02927951	clinicaltrials
NCT02954484	clinicaltrials
NCT02985216	clinicaltrials
NCT03017430	clinicaltrials
NCT03031340	clinicaltrials
NCT03151213	clinicaltrials
NCT03179345	clinicaltrials
NCT03186443	clinicaltrials
NCT03216187	clinicaltrials
NCT03221907	clinicaltrials
NCT03229668	clinicaltrials
NCT03232021	clinicaltrials
NCT03241875	clinicaltrials
NCT03256253	clinicaltrials
NCT03261427	clinicaltrials
NCT03302208	clinicaltrials
NCT03348735	clinicaltrials
NCT03407430	clinicaltrials
NCT03456947	clinicaltrials
NCT03472469	clinicaltrials
NCT03473093	clinicaltrials
NCT03482544	clinicaltrials
NCT03512574	clinicaltrials
NCT03523832	clinicaltrials
NCT03584074	clinicaltrials
NCT03604354	clinicaltrials
NCT03618589	clinicaltrials
NCT03669081	clinicaltrials
NCT03712475	clinicaltrials
NCT03714867	clinicaltrials
NCT03748290	clinicaltrials
NCT03794388	clinicaltrials
NCT03809702	clinicaltrials
NCT03927781	clinicaltrials
NCT03928093	clinicaltrials
NCT04015908	clinicaltrials
NCT04122196	clinicaltrials
NCT04161027	clinicaltrials
NCT04173390	clinicaltrials
NCT04181346	clinicaltrials
NCT04218240	clinicaltrials
NCT04246619	clinicaltrials
NCT04265456	clinicaltrials
NCT04322305	clinicaltrials
NCT04342065	clinicaltrials
NCT04471233	clinicaltrials
NCT04495283	clinicaltrials
NCT04495374	clinicaltrials
NCT04499209	clinicaltrials
NCT04517110	clinicaltrials
NCT04532684	clinicaltrials
NCT04599894	clinicaltrials
NCT04622202	clinicaltrials
NCT04641273	clinicaltrials
NCT04647773	clinicaltrials
NCT04653792	clinicaltrials
NCT04660773	clinicaltrials
NCT04666714	clinicaltrials
NCT04705480	clinicaltrials
NCT04766996	clinicaltrials
NCT04782310	clinicaltrials
NCT04846673	clinicaltrials
NCT04862845	clinicaltrials
NCT05053126	clinicaltrials
NCT05053126	clinicaltrials
NCT05053126	clinicaltrials
NCT05071118	clinicaltrials
NCT05083793	clinicaltrials
NCT05096468	clinicaltrials
NCT05150795	clinicaltrials
NCT05160493	clinicaltrials
NCT05181852	clinicaltrials
NCT05221151	clinicaltrials
NCT05292066	clinicaltrials
NCT05324059	clinicaltrials
NCT05324059	clinicaltrials
NCT05324761	clinicaltrials
NCT05370716	clinicaltrials
NCT05389150	clinicaltrials
NCT05389150	clinicaltrials
NCT05389813	clinicaltrials
NCT05432843	clinicaltrials
NCT05442931	clinicaltrials
NCT05447364	clinicaltrials
NCT05460871	clinicaltrials
NCT05478382	clinicaltrials
NCT05488847	clinicaltrials
NCT05509946	clinicaltrials
NCT05539924	clinicaltrials
NCT05547659	clinicaltrials
NCT05598905	clinicaltrials
NCT05624853	clinicaltrials
NCT05640453	clinicaltrials
NCT05640479	clinicaltrials
NCT05660538	clinicaltrials
NCT05763550	clinicaltrials
NCT05804591	clinicaltrials
NCT05829148	clinicaltrials
NCT05933486	clinicaltrials
NCT05967052	clinicaltrials
NCT05974501	clinicaltrials
NCT06025474	clinicaltrials
NCT06077786	clinicaltrials
NCT06117917	clinicaltrials
NCT06150898	clinicaltrials
NCT06180707	clinicaltrials
NCT06187922	clinicaltrials
NCT06221241	clinicaltrials
NCT06271486	clinicaltrials
NCT06367998	clinicaltrials
2255	drugcentral
50164279	bindingdb
The data in this table is sourced from UniChem at EBI.